8IJY

Synechococcus elongatus 6-4 photolyase with an 8-HDF as the antenna chromophore and a covalently linked FAD as the catalytic cofactor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9798
Spacegroup name	C 2 2 21
Unit cell lengths	105.116, 109.136, 95.217
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	75.710 - 2.380
R-factor	0.15288
Rwork	0.151
R-free	0.18964
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	2.403
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER (2.6.1)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	75.710	50.000	2.440
High resolution limit [Å]	2.380	6.510	2.400
Rmerge	0.148	0.100	0.472
Rmeas	0.157	0.106	0.501
Rpim	0.051	0.036	0.164
Number of reflections	22021	1197	1085
<I/σ(I)>	5.3
Completeness [%]	99.9	99.7	99.9
Redundancy	8.9	8.3	8.5
CC(1/2)	0.993	0.990	0.944

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	20% (w/v) PEG 8000 , 100 mM Tris base/ Hydrochloric acid pH 8.5, 200 mM magnesium chloride